SMILES:
Nc1nc(Cc2ccccc2)c(C(=O)O)s1Molecular Processing
Molecular formula
C11H10N2O2S
Molecular weight
234.28
Exact mass
234.0463
XLogP
2.01
TPSA
76.21
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
62.73
Supplementary Information
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